(3Z,6S,7R)-3-butylidene-7-chloranyl-6-oxidanyl-4,5,6,7-tetrahydro-2-benzofuran-1-one

Systemtic Name: (3Z,6S,7R)-3-butylidene-7-chloranyl-6-oxidanyl-4,5,6,7-tetrahydro-2-benzofuran-1-one Openeye Name: (3Z,6S,7R)-3-butylidene-7-chloro-6-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one CAS Name: (3Z,6S,7R)-3-butylidene-7-chloro-6-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one IUPAC Name: (3Z,6S,7R)-3-butylidene-7-chloro-6-hydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one Traditional Name: (3Z,6S,7R)-3-butylidene-7-chloro-6-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one Formula: C12H15ClO3 MolecularWeight: 242.6987

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1C2=C(C(C(CC2)O)Cl)C(=O)O1

Isomeric SMILES

CCC/C=C\1/C2=C([C@H]([C@H](CC2)O)Cl)C(=O)O1

InChI

InChI=1S/C12H15ClO3/c1-2-3-4-9-7-5-6-8(14)11(13)10(7)12(15)16-9/h4,8,11,14H,2-3,5-6H2,1H3/b9-4-/t8-,11-/m0/s1